4-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-butyl-N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-butyl-N-[2-(3-isoxazolylamino)-2-oxoethyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-butyl-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC=C3

InChI

InChI=1S/C22H30N4O3/c1-2-3-6-18-7-9-19(10-8-18)22(28)26(15-14-25-12-4-5-13-25)17-21(27)23-20-11-16-29-24-20/h7-11,16H,2-6,12-15,17H2,1H3,(H,23,24,27)/p+1